#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x66 n SER 2 N 0.00 6.84 -3.96 1.61 7.64 -1.26 -4.96 113.62 119.54 1x66 n SER 2 Ca 0.00 -3.65 -0.21 0.00 1.01 0.00 0.00 58.87 56.02 1x66 n SER 2 Cb 0.00 -1.10 -0.16 0.00 -1.01 0.00 0.00 64.21 61.94 1x66 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x66 s SER 3 N -1.67 1.22 0.00 6.43 0.01 -1.26 -5.09 113.70 113.34 1x66 s SER 3 Ca 0.39 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1x66 s SER 3 Cb 0.18 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1x66 s SER 3 CO -0.10 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1x66 n GLY 4 N 3.79 0.38 3.01 3.44 0.00 -1.26 -5.06 105.19 109.49 1x66 n GLY 4 Ca -0.23 -1.68 0.02 0.00 0.00 0.00 0.00 46.02 44.13 1x66 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x66 s SER 5 N -1.39 -0.91 -0.12 1.61 0.15 -1.26 -5.15 113.70 106.64 1x66 s SER 5 Ca 0.00 -0.33 -0.18 0.00 0.70 0.00 0.00 55.95 56.14 1x66 s SER 5 Cb 0.00 1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 65.51 1x66 s SER 5 CO 0.00 -0.11 0.48 -0.44 1.20 0.00 0.00 173.24 174.36 1x66 s SER 6 N 2.13 6.68 0.29 5.45 0.01 -1.26 -4.93 113.70 122.05 1x66 s SER 6 Ca 0.16 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.23 1x66 s SER 6 Cb -0.01 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1x66 s SER 6 CO -0.14 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1x66 n GLY 7 N 3.29 -2.47 3.69 3.44 0.00 -1.26 -4.93 105.19 106.95 1x66 n GLY 7 Ca -0.07 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 1x66 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x66 s PRO 8 N -2.90 0.73 -0.72 1.61 0.04 -1.26 -4.91 135.00 127.59 1x66 s PRO 8 Ca 0.00 0.63 -0.26 0.00 0.04 0.00 0.00 61.00 61.42 1x66 s PRO 8 Cb 0.00 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 1x66 s PRO 8 CO 0.00 -2.55 1.89 -1.25 0.04 0.00 0.00 177.00 175.13 1x66 s PRO 9 N -4.95 2.60 0.75 0.56 0.04 -1.26 -4.97 135.00 127.77 1x66 s PRO 9 Ca 0.65 0.27 -0.10 0.00 0.04 0.00 0.00 61.00 61.85 1x66 s PRO 9 Cb -0.18 -4.64 0.06 0.00 0.04 0.00 0.00 34.50 29.77 1x66 s PRO 9 CO 0.57 -2.98 1.11 -0.80 0.04 0.00 0.00 177.00 174.94 1x66 s ASN 10 N 8.08 4.77 -0.29 6.66 0.01 -1.26 -5.01 114.94 127.90 1x66 s ASN 10 Ca 0.68 0.73 -0.27 0.00 -0.71 0.00 0.00 52.86 53.29 1x66 s ASN 10 Cb -0.10 -1.33 0.01 0.00 0.41 0.00 0.00 41.25 40.23 1x66 s ASN 10 CO 0.13 -1.70 0.98 -0.04 -1.51 0.00 0.00 177.10 174.95 1x66 s MET 11 N -5.42 4.10 -0.26 -0.60 -1.94 -1.26 -5.02 119.30 108.89 1x66 s MET 11 Ca 0.60 1.02 -0.02 0.00 -1.71 0.00 0.00 55.69 55.58 1x66 s MET 11 Cb -0.11 -3.70 0.03 0.00 2.01 0.00 0.00 34.83 33.06 1x66 s MET 11 CO 0.48 -0.75 -0.03 0.99 -0.01 0.00 0.00 175.02 175.70 1x66 s THR 12 N 3.30 3.04 0.00 2.05 2.01 -1.26 -4.19 115.64 120.59 1x66 s THR 12 Ca 0.41 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1x66 s THR 12 Cb -0.14 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.79 1x66 s THR 12 CO 0.12 0.13 0.00 1.07 -0.69 0.00 0.00 174.62 175.25 1x66 n THR 13 N 4.69 0.00 0.00 -0.82 5.66 -1.26 -5.03 114.28 117.52 1x66 n THR 13 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1x66 n THR 13 Cb 0.46 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.17 1x66 n THR 13 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1x66 n ASN 14 N -1.70 0.00 -1.81 1.09 5.15 -1.26 -4.97 115.26 111.76 1x66 n ASN 14 Ca 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.99 1x66 n ASN 14 Cb 0.00 0.04 0.05 0.00 -0.53 0.00 0.00 39.78 39.35 1x66 n ASN 14 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1x66 n GLU 15 N -1.64 0.93 -3.33 1.20 2.13 -1.26 -5.01 120.64 113.67 1x66 n GLU 15 Ca 0.00 -2.74 -0.15 0.00 0.66 0.00 0.00 57.16 54.93 1x66 n GLU 15 Cb 0.00 -0.81 0.04 0.00 0.27 0.00 0.00 31.44 30.93 1x66 n GLU 15 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1x66 n ARG 16 N -0.10 -1.67 -3.28 5.31 3.00 -1.26 -5.03 116.66 113.64 1x66 n ARG 16 Ca 0.10 0.97 -0.12 0.00 -0.01 0.00 0.00 57.85 58.79 1x66 n ARG 16 Cb 0.98 -5.16 -0.04 0.00 0.00 0.00 0.00 32.46 28.24 1x66 n ARG 16 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1x66 n ARG 17 N -2.94 0.48 -4.48 5.56 1.85 -1.26 -4.98 116.66 110.89 1x66 n ARG 17 Ca -0.07 -1.87 -0.30 0.00 -1.00 0.00 0.00 57.85 54.61 1x66 n ARG 17 Cb 0.58 1.27 -0.12 0.00 -1.05 0.00 0.00 32.46 33.14 1x66 n ARG 17 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1x66 s VAL 18 N -2.57 2.67 -0.58 8.89 1.01 -1.26 -4.74 120.40 123.82 1x66 s VAL 18 Ca 0.17 -1.44 0.04 0.00 0.00 0.00 0.00 61.98 60.75 1x66 s VAL 18 Cb 0.01 -2.17 0.14 0.00 0.00 0.00 0.00 36.38 34.36 1x66 s VAL 18 CO 0.12 0.19 0.34 -0.63 0.00 0.00 0.00 175.10 175.12 1x66 s ILE 19 N -1.03 2.60 0.07 2.22 1.01 -1.26 -5.08 121.20 119.74 1x66 s ILE 19 Ca 0.16 -3.60 0.02 0.00 0.00 0.00 0.00 60.65 57.23 1x66 s ILE 19 Cb -0.10 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 1x66 s ILE 19 CO 0.07 -0.88 -0.08 0.68 0.00 0.00 0.00 174.94 174.74 1x66 s VAL 20 N -0.64 0.66 1.15 2.92 -7.23 -1.26 -5.06 120.40 110.94 1x66 s VAL 20 Ca 0.20 -1.52 -0.17 0.00 -1.81 0.00 0.00 61.98 58.67 1x66 s VAL 20 Cb -0.19 -1.17 0.26 0.00 0.56 0.00 0.00 36.38 35.85 1x66 s VAL 20 CO -0.06 -0.62 1.10 -2.16 -0.31 0.00 0.00 175.10 173.06 1x66 s PRO 21 N -2.70 -0.81 0.00 4.82 0.04 -1.26 -5.02 135.00 130.07 1x66 s PRO 21 Ca 0.01 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.14 1x66 s PRO 21 Cb -0.03 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.88 1x66 s PRO 21 CO -0.02 -3.47 0.56 0.00 0.04 0.00 0.00 177.00 174.11 1x66 n ALA 22 N -4.61 -0.13 -1.77 8.56 0.00 -1.26 -4.75 120.51 116.55 1x66 n ALA 22 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.15 1x66 n ALA 22 Cb 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.04 1x66 n ALA 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x66 s ASP 23 N -1.94 6.29 0.36 0.00 2.15 -1.26 -4.83 116.67 117.44 1x66 s ASP 23 Ca 0.00 2.80 0.15 0.00 0.43 0.00 0.00 52.55 55.92 1x66 s ASP 23 Cb 0.00 -2.65 0.66 0.00 -0.30 0.00 0.00 42.92 40.64 1x66 s ASP 23 CO 0.00 -0.88 1.76 1.55 -0.17 0.00 0.00 175.17 177.43 1x66 h PRO 24 N 2.77 0.00 0.00 4.34 0.13 -1.85 -2.86 132.00 134.52 1x66 h PRO 24 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1x66 h PRO 24 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x66 h PRO 24 CO 0.63 0.42 0.01 1.79 -0.23 0.00 0.00 178.00 180.62 1x66 h THR 25 N 0.00 0.00 -0.39 1.56 1.35 -1.92 0.15 112.91 113.66 1x66 h THR 25 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1x66 h THR 25 Cb 0.82 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1x66 h THR 25 CO 0.05 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.50 1x66 n LEU 26 N -2.95 2.60 -4.66 3.87 4.77 -1.08 -4.30 117.00 115.25 1x66 n LEU 26 Ca -0.03 -1.31 -0.40 0.00 -0.03 0.00 0.00 56.01 54.25 1x66 n LEU 26 Cb 0.07 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 1x66 n LEU 26 CO 0.18 0.53 0.29 0.26 -1.33 0.00 0.00 177.39 177.32 1x66 s TRP 27 N -1.59 3.38 0.90 -1.77 0.51 0.51 -4.80 118.94 116.09 1x66 s TRP 27 Ca 0.28 0.84 -0.15 0.00 -2.12 0.00 0.00 56.10 54.95 1x66 s TRP 27 Cb 0.17 -2.72 0.22 0.00 -0.81 0.00 0.00 33.47 30.32 1x66 s TRP 27 CO 0.16 -0.13 1.03 0.25 -0.51 0.00 0.00 176.95 177.75 1x66 n THR 28 N 4.59 0.00 0.27 2.01 -2.24 -1.26 -0.08 114.28 117.57 1x66 n THR 28 Ca -0.03 -0.64 0.17 0.00 -2.27 0.00 0.00 64.05 61.27 1x66 n THR 28 Cb 0.50 -1.43 0.87 0.00 -2.10 0.00 0.00 70.33 68.18 1x66 n THR 28 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1x66 h GLN 29 N 0.00 0.00 0.04 -0.78 4.15 -1.94 -2.57 115.11 114.01 1x66 h GLN 29 Ca -0.35 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 58.70 1x66 h GLN 29 Cb 1.01 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.65 1x66 h GLN 29 CO 0.24 0.00 -2.14 -1.91 -1.93 0.00 0.00 178.83 173.10 1x66 n GLU 30 N -2.70 0.66 -0.07 1.69 4.07 -1.26 -4.26 120.64 118.76 1x66 n GLU 30 Ca -0.02 0.28 -0.07 0.00 -0.06 0.00 0.00 57.16 57.30 1x66 n GLU 30 Cb 0.09 -1.61 -0.01 0.00 -0.06 0.00 0.00 31.44 29.86 1x66 n GLU 30 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1x66 h HIS 31 N -0.37 -0.45 -0.93 4.31 3.86 -1.80 0.80 115.15 120.58 1x66 h HIS 31 Ca -0.52 0.04 0.25 0.00 -1.16 0.00 0.00 60.37 58.97 1x66 h HIS 31 Cb 1.78 0.24 -0.05 0.00 1.06 0.00 0.00 27.41 30.44 1x66 h HIS 31 CO 0.03 -0.25 0.64 0.28 0.86 0.00 0.00 177.93 179.49 1x66 h VAL 32 N -0.15 0.58 0.05 2.45 2.07 -1.69 0.20 116.25 119.76 1x66 h VAL 32 Ca 0.16 -0.06 -0.26 0.00 0.82 0.00 0.00 66.70 67.35 1x66 h VAL 32 Cb 0.38 0.39 0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1x66 h VAL 32 CO -0.39 0.03 -1.06 0.03 0.02 0.00 0.00 177.57 176.21 1x66 h ARG 33 N 0.17 0.62 0.22 1.57 3.08 -1.08 -2.99 114.38 115.97 1x66 h ARG 33 Ca 0.47 -0.74 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 1x66 h ARG 33 Cb 1.55 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.83 1x66 h ARG 33 CO -0.09 1.32 -0.11 1.96 -1.07 0.00 0.00 179.97 181.98 1x66 h GLN 34 N 0.25 -0.29 -0.65 0.04 4.20 0.45 -2.78 115.11 116.33 1x66 h GLN 34 Ca -0.15 0.02 0.16 0.00 0.06 0.00 0.00 58.65 58.74 1x66 h GLN 34 Cb 1.73 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.55 1x66 h GLN 34 CO 0.21 0.04 0.45 2.35 -0.67 0.00 0.00 178.83 181.21 1x66 h TRP 35 N -0.65 0.20 0.58 2.96 7.01 -0.87 -1.47 115.95 123.71 1x66 h TRP 35 Ca -0.03 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.95 1x66 h TRP 35 Cb 0.46 -0.06 0.01 0.00 -2.10 0.00 0.00 29.16 27.47 1x66 h TRP 35 CO 0.03 0.08 -0.28 1.25 -2.79 0.00 0.00 178.44 176.73 1x66 h LEU 36 N 0.17 -0.66 -2.04 0.65 5.85 -1.38 -1.54 115.31 116.37 1x66 h LEU 36 Ca 0.32 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.18 1x66 h LEU 36 Cb 1.00 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1x66 h LEU 36 CO -0.05 -0.37 0.38 -0.33 -0.34 0.00 0.00 178.44 177.72 1x66 h GLU 37 N -0.97 0.00 0.37 1.25 5.08 -1.19 -1.92 114.58 117.20 1x66 h GLU 37 Ca -0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1x66 h GLU 37 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1x66 h GLU 37 CO 0.13 0.00 -0.18 2.35 -1.00 0.00 0.00 179.01 180.31 1x66 h TRP 38 N 0.00 -0.46 -0.88 4.33 7.01 -1.14 -2.47 115.95 122.34 1x66 h TRP 38 Ca 0.20 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.44 1x66 h TRP 38 Cb 0.96 0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 28.13 1x66 h TRP 38 CO 0.00 -0.29 0.63 0.00 -2.79 0.00 0.00 178.44 176.00 1x66 h ALA 39 N -1.39 2.82 -0.14 2.65 0.00 -0.86 0.31 119.26 122.64 1x66 h ALA 39 Ca -0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1x66 h ALA 39 Cb 0.38 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x66 h ALA 39 CO 0.08 -1.07 -0.13 0.82 0.00 0.00 0.00 179.25 178.96 1x66 h ILE 40 N 0.01 1.34 0.00 0.00 2.04 -1.36 0.25 117.51 119.79 1x66 h ILE 40 Ca 0.42 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1x66 h ILE 40 Cb 1.67 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 1x66 h ILE 40 CO -0.01 0.37 0.00 0.07 0.00 0.00 0.00 178.15 178.58 1x66 h LYS 41 N -0.03 0.00 0.08 2.37 2.10 -0.50 0.35 116.57 120.94 1x66 h LYS 41 Ca 0.02 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.42 1x66 h LYS 41 Cb 0.65 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.96 1x66 h LYS 41 CO 0.03 0.00 -1.31 1.49 -2.00 0.00 0.00 179.45 177.66 1x66 h GLU 42 N 0.00 0.16 -0.72 0.07 4.57 -0.38 -3.36 114.58 114.91 1x66 h GLU 42 Ca 0.00 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1x66 h GLU 42 Cb 0.78 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1x66 h GLU 42 CO 0.00 1.13 0.00 0.66 -1.18 0.00 0.00 179.01 179.62 1x66 n TYR 43 N -4.07 0.99 -3.92 0.92 4.01 0.86 -4.95 117.16 111.00 1x66 n TYR 43 Ca -0.26 -0.49 -0.28 0.00 -0.16 0.00 0.00 57.90 56.71 1x66 n TYR 43 Cb 0.82 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.85 1x66 n TYR 43 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1x66 n SER 44 N 1.60 -2.80 -4.77 7.72 7.64 0.85 -4.91 113.62 118.95 1x66 n SER 44 Ca 0.24 -0.87 -0.38 0.00 1.01 0.00 0.00 58.87 58.87 1x66 n SER 44 Cb 0.62 -3.59 -0.03 0.00 -1.01 0.00 0.00 64.21 60.20 1x66 n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x66 s LEU 45 N -7.07 4.26 0.11 -3.43 1.43 0.88 -5.00 118.68 109.86 1x66 s LEU 45 Ca 0.38 2.28 0.01 0.00 -1.03 0.00 0.00 54.13 55.77 1x66 s LEU 45 Cb -0.20 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.02 1x66 s LEU 45 CO 0.85 -0.53 -0.02 -0.04 0.23 0.00 0.00 176.35 176.84 1x66 s MET 46 N -2.15 0.86 -1.28 1.70 -1.94 -1.26 -4.82 119.30 110.40 1x66 s MET 46 Ca 0.54 -1.37 -0.04 0.00 -1.71 0.00 0.00 55.69 53.11 1x66 s MET 46 Cb -0.29 -0.05 0.00 0.00 2.01 0.00 0.00 34.83 36.50 1x66 s MET 46 CO 0.37 -0.10 0.57 0.39 -0.01 0.00 0.00 175.02 176.24 1x66 n GLU 47 N -0.06 -4.43 -4.30 2.03 1.02 -1.26 -4.62 120.64 109.02 1x66 n GLU 47 Ca -0.10 0.76 -0.35 0.00 -0.02 0.00 0.00 57.16 57.45 1x66 n GLU 47 Cb 0.62 -5.31 -0.10 0.00 -0.02 0.00 0.00 31.44 26.63 1x66 n GLU 47 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1x66 s ILE 48 N -3.10 4.36 -0.64 -3.67 2.07 -1.26 -3.50 121.20 115.45 1x66 s ILE 48 Ca 0.28 -0.22 -0.20 0.00 -1.41 0.00 0.00 60.65 59.10 1x66 s ILE 48 Cb -0.12 -2.87 0.09 0.00 0.13 0.00 0.00 42.46 39.69 1x66 s ILE 48 CO 0.35 0.56 0.84 -0.62 -1.91 0.00 0.00 174.94 174.16 1x66 s ASP 49 N -0.44 6.21 0.44 4.50 2.15 0.86 -4.87 116.67 125.51 1x66 s ASP 49 Ca 0.08 -1.31 0.24 0.00 0.43 0.00 0.00 52.55 51.99 1x66 s ASP 49 Cb -0.12 -2.35 0.86 0.00 -0.30 0.00 0.00 42.92 41.00 1x66 s ASP 49 CO 0.02 -1.24 1.80 0.71 -0.17 0.00 0.00 175.17 176.29 1x66 h THR 50 N 5.92 0.52 0.00 1.71 1.35 -1.98 -2.96 112.91 117.47 1x66 h THR 50 Ca -0.26 -1.16 -0.04 0.00 -0.55 0.00 0.00 66.41 64.40 1x66 h THR 50 Cb 1.08 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 1x66 h THR 50 CO 1.13 0.22 -0.21 0.28 -0.25 0.00 0.00 175.52 176.69 1x66 h SER 51 N 0.00 0.00 0.16 5.36 0.02 -1.97 -1.77 113.55 115.35 1x66 h SER 51 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1x66 h SER 51 Cb 0.79 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 1x66 h SER 51 CO 0.03 0.21 -0.04 0.15 -1.14 0.00 0.00 176.83 176.03 1x66 h PHE 52 N 0.00 0.00 -0.16 3.45 3.57 -1.91 -1.49 116.94 120.40 1x66 h PHE 52 Ca -0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1x66 h PHE 52 Cb 0.37 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1x66 h PHE 52 CO 0.00 0.04 -0.08 1.19 -2.23 0.00 0.00 178.31 177.23 1x66 n PHE 53 N -3.62 0.53 0.26 0.41 3.01 -0.69 -4.58 117.46 112.77 1x66 n PHE 53 Ca -0.02 -1.15 0.12 0.00 1.01 0.00 0.00 57.45 57.41 1x66 n PHE 53 Cb 0.14 -0.29 0.68 0.00 -0.01 0.00 0.00 39.48 40.01 1x66 n PHE 53 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1x66 h GLN 54 N 0.92 0.00 -0.02 -1.08 3.07 -0.99 -3.24 115.11 113.77 1x66 h GLN 54 Ca 0.05 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.61 1x66 h GLN 54 Cb 1.28 0.00 -0.32 0.00 0.08 0.00 0.00 27.48 28.52 1x66 h GLN 54 CO 0.15 0.14 -0.85 0.27 0.09 0.00 0.00 178.83 178.63 1x66 n ASN 55 N -3.66 0.50 -4.37 0.06 6.94 -1.26 -4.95 115.26 108.52 1x66 n ASN 55 Ca -0.02 -2.00 -0.45 0.00 -0.02 0.00 0.00 54.58 52.09 1x66 n ASN 55 Cb 0.26 -0.15 -0.04 0.00 -2.36 0.00 0.00 39.78 37.49 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1x66 s MET 56 N -0.16 3.05 0.65 -3.83 1.75 -1.22 -5.00 119.30 114.54 1x66 s MET 56 Ca 0.25 -1.36 -0.18 0.00 -1.25 0.00 0.00 55.69 53.16 1x66 s MET 56 Cb 0.29 -4.28 -0.01 0.00 2.84 0.00 0.00 34.83 33.68 1x66 s MET 56 CO -0.12 -1.53 1.25 -0.40 -0.65 0.00 0.00 175.02 173.57 1x66 n ASP 57 N 6.26 1.88 -0.42 1.11 5.68 -1.26 -4.59 116.55 125.21 1x66 n ASP 57 Ca -0.09 0.81 0.34 0.00 -0.50 0.00 0.00 54.79 55.35 1x66 n ASP 57 Cb 0.42 -1.54 0.63 0.00 -1.14 0.00 0.00 41.12 39.50 1x66 n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1x66 h GLY 58 N 0.45 1.11 0.76 6.12 0.00 -0.64 0.34 103.07 111.22 1x66 h GLY 58 Ca -0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1x66 h GLY 58 CO 0.52 -0.28 0.01 0.50 0.00 0.00 0.00 176.54 177.29 1x66 h LYS 59 N 0.15 0.11 0.00 4.80 1.79 -1.77 0.19 116.57 121.84 1x66 h LYS 59 Ca 0.76 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.19 1x66 h LYS 59 Cb 2.37 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 33.01 1x66 h LYS 59 CO -0.34 0.35 0.00 0.39 -1.08 0.00 0.00 179.45 178.77 1x66 n GLU 60 N -4.88 0.21 -0.09 3.15 1.02 0.96 -2.43 120.64 118.58 1x66 n GLU 60 Ca -0.07 0.37 -0.17 0.00 -0.02 0.00 0.00 57.16 57.27 1x66 n GLU 60 Cb 0.17 -1.85 -0.10 0.00 -0.02 0.00 0.00 31.44 29.64 1x66 n GLU 60 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1x66 h LEU 61 N 0.00 0.00 -2.49 -4.62 7.12 -0.49 -3.33 115.31 111.50 1x66 h LEU 61 Ca 0.00 -0.48 -0.00 0.00 0.13 0.00 0.00 57.88 57.52 1x66 h LEU 61 Cb 0.45 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.58 1x66 h LEU 61 CO 0.00 1.26 -0.02 0.00 -0.13 0.00 0.00 178.44 179.55 1x66 n LYS 63 N -3.39 1.39 -1.51 0.00 2.85 -1.02 -4.89 118.16 111.58 1x66 n LYS 63 Ca -0.02 -0.57 -0.31 0.00 -1.05 0.00 0.00 58.31 56.36 1x66 n LYS 63 Cb 0.13 -1.44 0.07 0.00 -0.65 0.00 0.00 35.03 33.14 1x66 n LYS 63 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1x66 s MET 64 N -1.96 2.57 0.40 -1.58 -1.94 0.26 -5.07 119.30 111.98 1x66 s MET 64 Ca 0.38 0.89 0.04 0.00 -1.71 0.00 0.00 55.69 55.29 1x66 s MET 64 Cb 0.19 -1.95 -0.03 0.00 2.01 0.00 0.00 34.83 35.05 1x66 s MET 64 CO 0.31 -1.34 0.10 -0.80 -0.01 0.00 0.00 175.02 173.29 1x66 s ASN 65 N -3.76 2.80 0.27 3.03 0.01 -1.26 -4.98 114.94 111.04 1x66 s ASN 65 Ca 0.59 -1.61 -0.00 0.00 -0.71 0.00 0.00 52.86 51.13 1x66 s ASN 65 Cb -0.15 0.39 0.56 0.00 0.41 0.00 0.00 41.25 42.46 1x66 s ASN 65 CO 0.55 -0.86 1.76 0.50 -1.51 0.00 0.00 177.10 177.54 1x66 h LYS 66 N 1.82 0.59 0.48 -0.60 1.63 -1.98 0.25 116.57 118.77 1x66 h LYS 66 Ca -0.37 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.37 1x66 h LYS 66 Cb 1.27 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1x66 h LYS 66 CO 0.61 0.39 -0.23 0.93 -3.45 0.00 0.00 179.45 177.70 1x66 h GLU 67 N 0.61 -0.63 -0.76 1.90 4.39 -1.98 0.34 114.58 118.46 1x66 h GLU 67 Ca 0.48 0.04 0.15 0.00 0.34 0.00 0.00 59.36 60.37 1x66 h GLU 67 Cb 0.71 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.45 1x66 h GLU 67 CO -0.38 -0.32 0.51 -0.44 -1.16 0.00 0.00 179.01 177.22 1x66 h ASP 68 N -0.98 0.38 0.23 1.42 3.32 -1.84 -0.02 116.42 118.94 1x66 h ASP 68 Ca -0.07 0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.78 1x66 h ASP 68 Cb 0.59 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.10 1x66 h ASP 68 CO 0.11 0.19 -0.94 -0.26 -1.72 0.00 0.00 179.24 176.62 1x66 h PHE 69 N 0.40 0.72 0.00 4.55 0.04 -0.43 -3.10 116.94 119.13 1x66 h PHE 69 Ca 0.37 -0.38 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1x66 h PHE 69 Cb 0.88 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1x66 h PHE 69 CO -0.00 1.20 0.00 -0.07 -0.60 0.00 0.00 178.31 178.84 1x66 h LEU 70 N 0.29 0.00 -0.39 1.54 3.38 0.92 0.25 115.31 121.30 1x66 h LEU 70 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1x66 h LEU 70 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1x66 h LEU 70 CO 0.17 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.24 1x66 n ARG 71 N -2.74 1.26 0.00 1.13 1.74 -0.56 -4.08 116.66 113.40 1x66 n ARG 71 Ca 0.01 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 1x66 n ARG 71 Cb 0.26 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 1x66 n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x66 n ALA 72 N -0.45 1.95 -2.44 7.54 0.00 -0.77 -5.04 120.51 121.31 1x66 n ALA 72 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 1x66 n ALA 72 Cb 0.18 0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.65 1x66 n ALA 72 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1x66 s THR 73 N -1.28 1.99 1.03 0.00 -1.32 0.81 -0.10 115.64 116.77 1x66 s THR 73 Ca 0.00 -2.05 -0.12 0.00 -1.21 0.00 0.00 61.69 58.32 1x66 s THR 73 Cb 0.00 -1.98 0.21 0.00 -1.51 0.00 0.00 72.50 69.22 1x66 s THR 73 CO 0.00 -0.33 1.08 0.28 -2.21 0.00 0.00 174.62 173.43 1x66 s THR 74 N -2.18 2.17 0.11 5.08 -1.32 -1.23 -4.02 115.64 114.26 1x66 s THR 74 Ca 0.19 0.06 -0.21 0.00 -1.21 0.00 0.00 61.69 60.52 1x66 s THR 74 Cb -0.05 -2.19 -0.08 0.00 -1.51 0.00 0.00 72.50 68.66 1x66 s THR 74 CO 0.08 -0.07 1.74 0.25 -2.21 0.00 0.00 174.62 174.41 1x66 h LEU 75 N -2.17 0.00 -0.45 9.08 5.85 -1.94 0.14 115.31 125.83 1x66 h LEU 75 Ca -0.53 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.30 1x66 h LEU 75 Cb 1.30 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.27 1x66 h LEU 75 CO 0.48 0.02 -0.21 0.22 -0.34 0.00 0.00 178.44 178.61 1x66 h TYR 76 N 0.08 -0.54 -0.28 1.25 5.03 -1.98 -0.10 116.97 120.43 1x66 h TYR 76 Ca 0.06 0.05 -0.11 0.00 2.58 0.00 0.00 58.73 61.31 1x66 h TYR 76 Cb 0.05 0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 1x66 h TYR 76 CO -0.12 -0.30 -0.28 -0.91 -1.32 0.00 0.00 178.16 175.23 1x66 h ASN 77 N -0.12 0.57 -0.57 -2.11 2.35 -1.85 -2.82 115.58 111.03 1x66 h ASN 77 Ca 0.21 -0.21 0.10 0.00 -0.55 0.00 0.00 56.30 55.86 1x66 h ASN 77 Cb 0.46 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1x66 h ASN 77 CO -0.53 0.84 0.38 0.74 -1.65 0.00 0.00 177.43 177.21 1x66 h THR 78 N 0.49 0.87 -0.07 2.81 2.02 0.11 -0.81 112.91 118.33 1x66 h THR 78 Ca 0.06 -0.11 -0.20 0.00 0.77 0.00 0.00 66.41 66.93 1x66 h THR 78 Cb 0.74 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1x66 h THR 78 CO 0.06 0.06 -0.74 -0.33 0.37 0.00 0.00 175.52 174.93 1x66 h GLU 79 N 0.33 0.63 0.75 6.66 4.39 -1.05 -2.73 114.58 123.55 1x66 h GLU 79 Ca 0.26 -0.58 -0.04 0.00 0.34 0.00 0.00 59.36 59.35 1x66 h GLU 79 Cb 0.60 0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1x66 h GLU 79 CO -0.06 1.19 -0.36 0.28 -1.16 0.00 0.00 179.01 178.90 1x66 h VAL 80 N 0.27 0.17 -0.18 3.13 2.07 -1.21 -0.15 116.25 120.36 1x66 h VAL 80 Ca -0.07 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.35 1x66 h VAL 80 Cb 1.40 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1x66 h VAL 80 CO 0.15 0.01 -0.27 -0.07 0.02 0.00 0.00 177.57 177.41 1x66 h LEU 81 N -1.13 -0.86 -0.65 2.57 3.38 -1.32 0.26 115.31 117.55 1x66 h LEU 81 Ca -0.10 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1x66 h LEU 81 Cb 0.79 0.38 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 1x66 h LEU 81 CO 0.17 -0.31 0.32 -0.07 0.09 0.00 0.00 178.44 178.63 1x66 h LEU 82 N -0.32 0.42 -0.42 1.67 -0.00 -1.50 0.10 115.31 115.26 1x66 h LEU 82 Ca 0.11 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 58.03 1x66 h LEU 82 Cb 0.49 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.12 1x66 h LEU 82 CO -0.36 0.25 0.18 0.28 -0.00 0.00 0.00 178.44 178.80 1x66 h SER 83 N 0.57 0.57 0.74 -0.43 0.02 -0.05 0.25 113.55 115.21 1x66 h SER 83 Ca 0.31 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1x66 h SER 83 Cb 0.30 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.70 1x66 h SER 83 CO -0.24 0.56 -0.35 -0.74 -1.14 0.00 0.00 176.83 174.91 1x66 h HIS 84 N 0.53 -0.92 -0.22 3.45 -0.00 0.19 -2.93 115.15 115.25 1x66 h HIS 84 Ca 0.14 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.50 1x66 h HIS 84 Cb 0.16 0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.86 1x66 h HIS 84 CO -0.00 -0.55 0.15 1.25 -0.00 0.00 0.00 177.93 178.77 1x66 h LEU 85 N -1.12 0.23 -1.66 0.26 5.85 -0.83 -1.69 115.31 116.36 1x66 h LEU 85 Ca -0.10 -0.01 0.20 0.00 0.84 0.00 0.00 57.88 58.82 1x66 h LEU 85 Cb 0.78 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1x66 h LEU 85 CO 0.17 0.16 0.57 -1.28 -0.34 0.00 0.00 178.44 177.73 1x66 h SER 86 N 0.27 0.29 0.00 1.25 0.87 -0.31 0.25 113.55 116.18 1x66 h SER 86 Ca 0.08 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1x66 h SER 86 Cb 0.01 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1x66 h SER 86 CO -0.02 0.12 -0.41 0.22 -0.53 0.00 0.00 176.83 176.21 1x66 h TYR 87 N 0.29 0.00 -0.89 2.24 3.20 -1.29 -3.17 116.97 117.36 1x66 h TYR 87 Ca 0.43 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.53 1x66 h TYR 87 Cb 1.22 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.44 1x66 h TYR 87 CO -0.00 0.55 0.61 -0.07 -1.64 0.00 0.00 178.16 177.61 1x66 h LEU 88 N -1.00 0.19 -0.35 2.82 4.07 -1.24 0.25 115.31 120.05 1x66 h LEU 88 Ca -0.08 0.02 -0.19 0.00 0.08 0.00 0.00 57.88 57.72 1x66 h LEU 88 Cb 0.64 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.37 1x66 h LEU 88 CO -0.05 0.07 -0.70 0.03 -1.08 0.00 0.00 178.44 176.71 1x66 h ARG 89 N 0.19 0.57 -0.97 1.13 3.08 -0.65 -3.12 114.38 114.61 1x66 h ARG 89 Ca 0.44 -0.44 -0.47 0.00 0.07 0.00 0.00 59.98 59.59 1x66 h ARG 89 Cb 1.45 0.08 -0.28 0.00 0.08 0.00 0.00 29.97 31.30 1x66 h ARG 89 CO -0.09 1.06 0.60 0.39 -1.07 0.00 0.00 179.97 180.86 1x66 n GLU 90 N -3.90 2.45 -0.96 0.04 -0.58 0.74 -4.20 120.64 114.23 1x66 n GLU 90 Ca -0.05 -2.98 0.05 0.00 -0.42 0.00 0.00 57.16 53.75 1x66 n GLU 90 Cb 0.69 -2.17 0.14 0.00 -0.57 0.00 0.00 31.44 29.53 1x66 n GLU 90 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1x66 n SER 91 N -0.99 1.53 0.15 1.62 7.64 -0.29 -4.88 113.62 118.40 1x66 n SER 91 Ca 0.57 -3.24 0.00 0.00 1.01 0.00 0.00 58.87 57.21 1x66 n SER 91 Cb 1.63 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 64.38 1x66 n SER 91 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x66 n SER 92 N -0.55 -2.62 -1.54 6.43 2.88 -1.26 -4.79 113.62 112.17 1x66 n SER 92 Ca 0.15 0.58 -0.03 0.00 -1.33 0.00 0.00 58.87 58.24 1x66 n SER 92 Cb 0.85 2.59 -0.00 0.00 -0.75 0.00 0.00 64.21 66.91 1x66 n SER 92 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x66 n SER 93 N -3.13 -0.53 0.00 -3.46 2.88 -1.26 -5.13 113.62 102.98 1x66 n SER 93 Ca 0.00 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.04 1x66 n SER 93 Cb 0.00 0.93 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 1x66 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x66 n GLY 94 N -0.16 0.89 3.72 0.46 0.00 -1.26 -4.58 105.19 104.26 1x66 n GLY 94 Ca -0.01 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1x66 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x66 s PRO 95 N -1.32 4.34 0.12 1.61 0.04 -1.26 -4.92 135.00 133.61 1x66 s PRO 95 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1x66 s PRO 95 Cb 0.00 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1x66 s PRO 95 CO 0.00 -0.39 0.00 0.45 0.04 0.00 0.00 177.00 177.10 1x66 n SER 96 N 3.75 0.80 -4.82 6.66 2.88 -1.26 -5.06 113.62 116.57 1x66 n SER 96 Ca 0.10 0.18 -0.33 0.00 -1.33 0.00 0.00 58.87 57.49 1x66 n SER 96 Cb 0.43 -0.19 -0.05 0.00 -0.75 0.00 0.00 64.21 63.65 1x66 n SER 96 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x66 s SER 97 N -5.72 6.66 0.00 -3.46 1.04 -1.26 -5.28 113.70 105.68 1x66 s SER 97 Ca 0.00 1.72 0.17 0.00 0.48 0.00 0.00 55.95 58.32 1x66 s SER 97 Cb 0.00 -2.54 0.13 0.00 0.10 0.00 0.00 66.02 63.72 1x66 s SER 97 CO 0.00 -0.56 1.04 0.61 0.98 0.00 0.00 173.24 175.31